Center for Computational Science and Engineering (CCSE): Recent submissions
Now showing items 1-3 of 74
-
Optical Property Prediction and Molecular Discovery through Multi-Fidelity Deep Learning and Computational Chemistry
(Massachusetts Institute of Technology, 2024-05)Optical properties are crucial for the design of molecules for numerous applications, including for display technologies and biological imaging. The accurate prediction of these properties has been the subject of decades ... -
Leveraging the Linear Response Theory in Sensitivity Analysis of Chaotic Dynamical Systems and Turbulent Flows
(Massachusetts Institute of Technology, 2023-06)The linear response theory (LRT) provides a set of powerful mathematical tools for the analysis of system’s reactions to controllable perturbation. In applied sciences, LRT is particularly useful in approximating parametric ... -
Modeling Feedback Effects of Transient Nuclear Systems Using Monte Carlo
(Massachusetts Institute of Technology, 2023-06)Monte Carlo neutron transport is the gold standard for accurate neutronics simulation of nuclear reactors in steady-state because each term of the neutron transport equation can be directly tallied using continuous-energy ...
